CID 451831

199852-39-6

Structural Information

Molecular Formula
C18H22N2O3S
SMILES
CC(C)C1=C(N=C2N(C1=O)C(CS2)OCCO)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O3S/c1-12(2)16-14(10-13-6-4-3-5-7-13)19-18-20(17(16)22)15(11-24-18)23-9-8-21/h3-7,12,15,21H,8-11H2,1-2H3
InChIKey
FLHOBRQPTBNCAZ-UHFFFAOYSA-N
Compound name
7-benzyl-3-(2-hydroxyethoxy)-6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1351 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14238 180.8
[M+Na]+ 369.12432 189.1
[M-H]- 345.12782 184.8
[M+NH4]+ 364.16892 194.5
[M+K]+ 385.09826 183.9
[M+H-H2O]+ 329.13236 173.1
[M+HCOO]- 391.13330 193.7
[M+CH3COO]- 405.14895 209.2
[M+Na-2H]- 367.10977 179.4
[M]+ 346.13455 185.7
[M]- 346.13565 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.